(E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one

In the title compound, C(8)H(10)N(2)OS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [give r.m.s. deviation] and the mean plane through the seven non-H atoms makes a dihedral angle of 8.88 (3)° with the thia­zole ring. The carbonyl and ring C=N double bonds adjacent to the car...

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Autores principales: You, Xin-Yu, Shi, Yao-Jie, Yu, Luo-Ting
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588356/
https://www.ncbi.nlm.nih.gov/pubmed/23476405
http://dx.doi.org/10.1107/S1600536812048817
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author You, Xin-Yu
Shi, Yao-Jie
Yu, Luo-Ting
author_facet You, Xin-Yu
Shi, Yao-Jie
Yu, Luo-Ting
author_sort You, Xin-Yu
collection PubMed
description In the title compound, C(8)H(10)N(2)OS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [give r.m.s. deviation] and the mean plane through the seven non-H atoms makes a dihedral angle of 8.88 (3)° with the thia­zole ring. The carbonyl and ring C=N double bonds adjacent to the carbonyl group are trans [N—C—C—O = 172.31 (15) °], while the conformation of the carbonyl and propene double bonds is cis [O—C—C—C = 2.2 (2)°]. In the crystal, short C—H⋯N and C—H⋯O inter­actions together with C—H⋯π inter­actions generate a three-dimensional network.
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spelling pubmed-35883562013-03-08 (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one You, Xin-Yu Shi, Yao-Jie Yu, Luo-Ting Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(10)N(2)OS, the 3-(dimethyl­amino)­prop-2-en-1-one unit is approximately planar [give r.m.s. deviation] and the mean plane through the seven non-H atoms makes a dihedral angle of 8.88 (3)° with the thia­zole ring. The carbonyl and ring C=N double bonds adjacent to the carbonyl group are trans [N—C—C—O = 172.31 (15) °], while the conformation of the carbonyl and propene double bonds is cis [O—C—C—C = 2.2 (2)°]. In the crystal, short C—H⋯N and C—H⋯O inter­actions together with C—H⋯π inter­actions generate a three-dimensional network. International Union of Crystallography 2012-12-05 /pmc/articles/PMC3588356/ /pubmed/23476405 http://dx.doi.org/10.1107/S1600536812048817 Text en © You et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
You, Xin-Yu
Shi, Yao-Jie
Yu, Luo-Ting
(E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title_full (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title_fullStr (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title_full_unstemmed (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title_short (E)-3-Dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
title_sort (e)-3-dimethyl­amino-1-(1,3-thia­zol-2-yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588356/
https://www.ncbi.nlm.nih.gov/pubmed/23476405
http://dx.doi.org/10.1107/S1600536812048817
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